5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one

C17H20N2OS — CID 79809471

IUPAC5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCCNC(c1ccc2c(c1)CC(=O)N2C)c1cscc1C
InChIInChI=1S/C17H20N2OS/c1-4-18-17(14-10-21-9-11(14)2)12-5-6-15-13(7-12)8-16(20)19(15)3/h5-7,9-10,17-18H,4,8H2,1-3H3
InChIKeyMPOAWRBKKSAZNL-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.27
Rot. Bonds4

About 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one

5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 79809471) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID79809471
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCCNC(c1ccc2c(c1)CC(=O)N2C)c1cscc1C
InChIInChI=1S/C17H20N2OS/c1-4-18-17(14-10-21-9-11(14)2)12-5-6-15-13(7-12)8-16(20)19(15)3/h5-7,9-10,17-18H,4,8H2,1-3H3
InChIKeyMPOAWRBKKSAZNL-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethylamino-(5-iodothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79691115
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82290693
1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
CID 43496797
N-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 107960668
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937

Frequently Asked Questions

What is the IUPAC name of 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one (CID 79809471) is 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one is CCNC(c1ccc2c(c1)CC(=O)N2C)c1cscc1C.
What is the InChIKey of 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is MPOAWRBKKSAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-18-17(14-10-21-9-11(14)2)12-5-6-15-13(7-12)8-16(20)19(15)3/h5-7,9-10,17-18H,4,8H2,1-3H3.
What are the key properties of 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 300.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 79809471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).